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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1,3-Benzenediacetonitrile, 5-(bromomethyl)-a,a,a',a'-tetramethyl-

N#CC(c1cc(CBr)cc(c1)C(C#N)(C)C)(C)C Request for Quotation
Chemical Name: 1,3-Benzenediacetonitrile, 5-(bromomethyl)-a,a,a',a'-tetramethyl-
CAS Number: 120511-84-4
Product Number: AG019FU5(AGN-PC-0PET33)
Synonyms:
MDL No:
Molecular Formula: C15H17BrN2
Molecular Weight: 305.2129

Identification/Properties

Computed Properties
Molecular Weight:
305.219g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
304.058g/mol
Monoisotopic Mass:
304.058g/mol
Topological Polar Surface Area:
47.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
357
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H312-H332
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


The compound 2,2'-(5-(Bromomethyl)-1,3-phenylene)bis(2-methylpropanenitrile) finds significant application in chemical synthesis as a versatile building block. It serves as a valuable intermediate in the creation of various organic compounds due to its unique structural properties. This compound can be utilized in the formation of complex molecules through processes such as cross-coupling reactions, nucleophilic substitutions, and cyclization reactions. Its reactivity towards nucleophiles enables the introduction of functional groups in specific positions, contributing to the synthesis of diverse chemical structures. Additionally, the presence of the bromomethyl group enhances its compatibility for further derivatization, enabling the creation of tailored molecules for a range of applications in materials science, pharmaceuticals, and agrochemicals.